N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

C18H16FN3O2 — CID 108948356

IUPACN'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)8-9-21-17(23)11-18(24)22-15-6-3-4-13(10-15)12-20/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyDXIAYXFUJXDUBG-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.38
Rot. Bonds6

About N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide

N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (PubChem CID 108948356) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
PubChem CID108948356
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC NameN'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
SMILESN#Cc1cccc(NC(=O)CC(=O)NCCc2ccccc2F)c1
InChIInChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)8-9-21-17(23)11-18(24)22-15-6-3-4-13(10-15)12-20/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24)
InChIKeyDXIAYXFUJXDUBG-UHFFFAOYSA-N
XLogP2.38
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-N-(3-cyanophenyl)-2-N-[2-(2-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098571
4-N-(3-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109149090
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
N'-(3-cyanophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108949699
N'-(4-ethoxyphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948303
N'-(2,6-diethylphenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide
CID 108948280
N-(3-cyanophenyl)-2-phenylacetamide
CID 729975
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
N-[2-(2-fluorophenyl)ethyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108948278
N-(3-ethynylphenyl)-2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111361612
4-N-(4-cyanophenyl)-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109047977
N'-[2-(2-fluorophenyl)ethyl]-N-(2-phenylethyl)propanediamide
CID 108947912

Frequently Asked Questions

What is the IUPAC name of N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The IUPAC name of N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide (CID 108948356) is N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide.
What is the SMILES notation for N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The canonical SMILES for N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is N#Cc1cccc(NC(=O)CC(=O)NCCc2ccccc2F)c1.
What is the InChIKey of N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
The InChIKey is DXIAYXFUJXDUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-16-7-2-1-5-14(16)8-9-21-17(23)11-18(24)22-15-6-3-4-13(10-15)12-20/h1-7,10H,8-9,11H2,(H,21,23)(H,22,24).
What are the key properties of N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide?
N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide has a molecular weight of 325.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyanophenyl)-N-[2-(2-fluorophenyl)ethyl]propanediamide is sourced from PubChem (CID 108948356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).